N-(3-bicyclo[3.1.0]hexanyl)-2-methylcyclopentene-1-carboxamide

C13H19NO — CID 128897769

IUPACN-(3-bicyclo[3.1.0]hexanyl)-2-methylcyclopentene-1-carboxamide
SMILESCC1=C(C(=O)NC2CC3CC3C2)CCC1
InChIInChI=1S/C13H19NO/c1-8-3-2-4-12(8)13(15)14-11-6-9-5-10(9)7-11/h9-11H,2-7H2,1H3,(H,14,15)
InChIKeyVRWAQISXQBHTDD-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.40
Rot. Bonds2

About N-(3-bicyclo[3.1.0]hexanyl)-2-methylcyclopentene-1-carboxamide

N-(3-bicyclo[3.1.0]hexanyl)-2-methylcyclopentene-1-carboxamide (PubChem CID 128897769) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(3-bicyclo[3.1.0]hexanyl)-2-methylcyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-(3-bicyclo[3.1.0]hexanyl)-2-methylcyclopentene-1-carboxamide
PubChem CID128897769
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-(3-bicyclo[3.1.0]hexanyl)-2-methylcyclopentene-1-carboxamide
SMILESCC1=C(C(=O)NC2CC3CC3C2)CCC1
InChIInChI=1S/C13H19NO/c1-8-3-2-4-12(8)13(15)14-11-6-9-5-10(9)7-11/h9-11H,2-7H2,1H3,(H,14,15)
InChIKeyVRWAQISXQBHTDD-UHFFFAOYSA-N
XLogP2.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)-2-methylcyclopentene-1-carboxamide?
The IUPAC name of N-(3-bicyclo[3.1.0]hexanyl)-2-methylcyclopentene-1-carboxamide (CID 128897769) is N-(3-bicyclo[3.1.0]hexanyl)-2-methylcyclopentene-1-carboxamide.
What is the SMILES notation for N-(3-bicyclo[3.1.0]hexanyl)-2-methylcyclopentene-1-carboxamide?
The canonical SMILES for N-(3-bicyclo[3.1.0]hexanyl)-2-methylcyclopentene-1-carboxamide is CC1=C(C(=O)NC2CC3CC3C2)CCC1.
What is the InChIKey of N-(3-bicyclo[3.1.0]hexanyl)-2-methylcyclopentene-1-carboxamide?
The InChIKey is VRWAQISXQBHTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-8-3-2-4-12(8)13(15)14-11-6-9-5-10(9)7-11/h9-11H,2-7H2,1H3,(H,14,15).
What are the key properties of N-(3-bicyclo[3.1.0]hexanyl)-2-methylcyclopentene-1-carboxamide?
N-(3-bicyclo[3.1.0]hexanyl)-2-methylcyclopentene-1-carboxamide has a molecular weight of 205.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bicyclo[3.1.0]hexanyl)-2-methylcyclopentene-1-carboxamide is sourced from PubChem (CID 128897769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).